Geometry & MOs

Info

ID:	290805
PubChem CID:	111123358
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	2.96
IP(EA), eV:	-8.52(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[(1-hydroxycyclohexyl)methyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CN(C)C(CO)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations